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Literature summary for 3.4.24.69 extracted from

  • Tang, J.; Park, J.G.; Millard, C.B.; Schmidt, J.J.; Pang, Y.P.
    Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A (2007), PLoS ONE, 2, e761.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.24.69

Inhibitors

Inhibitors Comment Organism Structure
([[5-[[1-(4-ammoniobutyl)-2-phenyl-1H-indol-6-yl]carbonyl]-2-(3-hydroxyphenyl)thiophen-3-yl]acetyl]amino)oxidanide synthesis and binding structure, overview, multiple molecular dynamics simulations of the endopeptidase in complex with inhibitor 2 using the dummy atom approach, overview Clostridium botulinum
[[(5-[[1-(4-ammoniobutyl)-2-phenyl-1H-indol-6-yl]carbonyl]-2-phenylthiophen-3-yl)acetyl]amino]oxidanide synthesis and binding structure, overview, multiple molecular dynamics simulations of the endopeptidase in complex with inhibitor 1 using the dummy atom approach, overview Clostridium botulinum

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ a zinc endopeptidase Clostridium botulinum

Organism

Organism UniProt Comment Textmining
Clostridium botulinum
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
SNAP25(187-203) + H2O i.e. soluble N-ethylmaleimide-sensitive factor attachment protein 25, substrate fragmnent containing residues 87-203 Clostridium botulinum ?
-
 ?

Synonyms

Synonyms Comment Organism
BoNTA endopeptidase
-
 Clostridium botulinum
botulinum neurotoxin serotype A
-
 Clostridium botulinum
botulinum neurotoxin serotype A endopeptidase
-
 Clostridium botulinum

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Clostridium botulinum

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.3
-
 assay at Clostridium botulinum

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
additional information
-
 additional information inhibition kinetics Clostridium botulinum
0.0038
-
 ([[5-[[1-(4-ammoniobutyl)-2-phenyl-1H-indol-6-yl]carbonyl]-2-(3-hydroxyphenyl)thiophen-3-yl]acetyl]amino)oxidanide pH 7.3, 37°C, hydroxyl-containing analogue of BoNTA endopeptidase Clostridium botulinum
0.007
-
 [[(5-[[1-(4-ammoniobutyl)-2-phenyl-1H-indol-6-yl]carbonyl]-2-phenylthiophen-3-yl)acetyl]amino]oxidanide pH 7.3, 37°C, wild-type BoNTA endopeptidase Clostridium botulinum